2NLU | pdb_00002nlu

Domain-Swapped Dimer of the PWWP Module of Human Hepatoma-derived Growth Factor

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	13C, 15N filtered, 15N edited NOESY-HSQC	1mM u-15N, 13C, 2H and unlabeled HATH Dimer; 10mM phosphate buffer, 150mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	150mM NaCl	7.4	1 atm	288
2	13C, 15N filtered, 13C edited NOESY-HSQC	1mM u-15N, 13C, 2H and unlabeled HATH Dimer; 10mM phosphate buffer, 150mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	150mM NaCl	7.4	1 atm	288
3	13C, 15N filtered, 15N edited NOESY-HSQC	1mM u-15N, 2H and u-2H HATH Dimer; 10mM phosphate buffer, 150mM NaCl ;90% H2O, 10% D2O	90% H2O/10% D2O	150mM NaCl	7.4	1 atm	288
4	3D_15N-separated_NOESY	1mM u-15N, 13C HATH Dimer; 10mM phosphate buffer, 150mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	150mM NaCl	7.4	1 atm	288
5	3D_13C-separated_NOESY	1mM u-15N, 13C HATH Dimer; 10mM phosphate buffer, 150mM NaCl; 90% H2O, 10% D2O	90% H2O/10% D2O	150mM NaCl	7.4	1 atm	288

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	Bruker	AVANCE	800

NMR Refinement
Method	Details	Software
simulated annealing		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	The submitted structures are the 16 structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	16
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	3.5	Bruker
2	processing	XwinNMR	3.5	Bruker
3	data analysis	Sparky	3.113	T.D.Goddard, D.G.Kneller
4	structure solution	ARIA	1.2	M.Nilges, A.M.Gronenborn, G.M.Clore
5	refinement	ARIA	1.2	M.Nilges, A.M.Gronenborn, G.M.Clore

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.